3-amino-5-ethoxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide

C14H19F3N2O2 — CID 81092975

IUPAC3-amino-5-ethoxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCOc1cc(N)cc(C(=O)N(CC(F)(F)F)C(C)C)c1
InChIInChI=1S/C14H19F3N2O2/c1-4-21-12-6-10(5-11(18)7-12)13(20)19(9(2)3)8-14(15,16)17/h5-7,9H,4,8,18H2,1-3H3
InChIKeyBSTJTMKUETZKBR-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.08
Rot. Bonds5

About 3-amino-5-ethoxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide

3-amino-5-ethoxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 81092975) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 3-amino-5-ethoxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-amino-5-ethoxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID81092975
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name3-amino-5-ethoxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCOc1cc(N)cc(C(=O)N(CC(F)(F)F)C(C)C)c1
InChIInChI=1S/C14H19F3N2O2/c1-4-21-12-6-10(5-11(18)7-12)13(20)19(9(2)3)8-14(15,16)17/h5-7,9H,4,8,18H2,1-3H3
InChIKeyBSTJTMKUETZKBR-UHFFFAOYSA-N
XLogP3.08
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-ethoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 81089871
3-amino-N-butan-2-yl-5-ethoxy-N-ethylbenzamide
CID 81090424
3-amino-5-ethoxy-N-methyl-N-(2-methylpropyl)benzamide
CID 81090070
3-amino-5-ethoxy-N-methyl-N-pentan-3-ylbenzamide
CID 81089701
3,5-diamino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 61106090
3-amino-N,N-dibutyl-5-ethoxybenzamide
CID 81095116
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-amino-5-ethoxybenzoate
CID 81093375
ethyl 3-amino-5-ethoxybenzoate
CID 58424919
3-amino-N-cyclopropyl-5-ethoxy-N-ethylbenzamide
CID 81090601
2-hydroxypropyl 3-amino-5-ethoxybenzoate
CID 81092070
methyl 3-amino-5-ethoxybenzoate
CID 45089063
3-amino-4-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 60947328

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethoxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-amino-5-ethoxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide (CID 81092975) is 3-amino-5-ethoxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-amino-5-ethoxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-amino-5-ethoxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide is CCOc1cc(N)cc(C(=O)N(CC(F)(F)F)C(C)C)c1.
What is the InChIKey of 3-amino-5-ethoxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is BSTJTMKUETZKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-4-21-12-6-10(5-11(18)7-12)13(20)19(9(2)3)8-14(15,16)17/h5-7,9H,4,8,18H2,1-3H3.
What are the key properties of 3-amino-5-ethoxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide?
3-amino-5-ethoxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 304.31 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethoxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 81092975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).